- InChI
- InChI=1S/C6H10O2/c1-4-5(2)8-6(3)7/h4-5H,1H2,2-3H3
- InChI Key
- LYWCPTCPTWCZSZ-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- C=CC(C)OC(C)=O
- Molecular Weight1
- 114.14
- CAS
- 6737-11-7
- Other Names
-
- Acetic acid 1-buten-3-yl ester
- 1-Methyl-2-propenyl acetate
- 3-Buten-2-ol, acetate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -148.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.05 | kJ/mol | Joback Calculated Property |
| log10WS | -1.16 | Crippen Calculated Property | |
| logPoct/wat | 1.124 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3468.36 | kPa | Joback Calculated Property |
| Inp | [760.90; 760.90] |
|
|
| Inp | 760.90 | NIST | |
| Inp | 760.90 | NIST | |
| Tboil | [385.00; 385.70] | K |
|
| Tboil | 385.00 | K | NIST |
| Tboil | 385.70 ± 2.00 | K | NIST |
| Tc | 594.78 | K | Joback Calculated Property |
| Tfus | 212.78 | K | Joback Calculated Property |
| Vc | 0.370 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.94; 236.69] | J/mol×K | [409.21; 594.78] |
|
| Cp,gas | 184.94 | J/mol×K | 409.21 | Joback Calculated Property |
| Cp,gas | 194.42 | J/mol×K | 440.14 | Joback Calculated Property |
| Cp,gas | 203.56 | J/mol×K | 471.07 | Joback Calculated Property |
| Cp,gas | 212.35 | J/mol×K | 502.00 | Joback Calculated Property |
| Cp,gas | 220.81 | J/mol×K | 532.93 | Joback Calculated Property |
| Cp,gas | 228.92 | J/mol×K | 563.86 | Joback Calculated Property |
| Cp,gas | 236.69 | J/mol×K | 594.78 | Joback Calculated Property |
| η | [0.0002586; 0.0040214] | Pa×s | [212.78; 409.21] |
|
| η | 0.0040214 | Pa×s | 212.78 | Joback Calculated Property |
| η | 0.0018765 | Pa×s | 245.52 | Joback Calculated Property |
| η | 0.0010476 | Pa×s | 278.26 | Joback Calculated Property |
| η | 0.0006612 | Pa×s | 311.00 | Joback Calculated Property |
| η | 0.0004556 | Pa×s | 343.73 | Joback Calculated Property |
| η | 0.0003349 | Pa×s | 376.47 | Joback Calculated Property |
| η | 0.0002586 | Pa×s | 409.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methylallyl acetate.
Sources
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